SCHEMBL7843493

SCHEMBL7843493

NS(=O)(=O)c1ccc(-c2nc(COc3cccc(Br)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.71
PTGS1 P23219 7/20 0.71
MAOB P27338 2/20 0.45
PPARD Q03181 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7845512 1.00 PTGS2 (0.71) PTGS2PTGS1MAOBPPARDCA12
SCHEMBL7833376 0.91 PTGS2 (0.75) PTGS2PTGS1PPARDCA12CA1
SCHEMBL7834121 0.91 PTGS2 (0.75) PTGS2PTGS1PPARDCA12CA1
SCHEMBL7839937 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7843375 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7846916 0.89 PTGS2 (0.84) PTGS2PTGS1PPARD
SCHEMBL7844584 0.89 PTGS2 (0.84) PTGS2PTGS1PPARD
SCHEMBL7834330 0.88 PTGS2 (0.73) PTGS2PTGS1PPARDCA12CA1
SCHEMBL7833532 0.88 PTGS2 (0.73) PTGS2PTGS1PPARDCA12CA1
SCHEMBL7834417 0.88 PTGS2 (0.76) PTGS2PTGS1PPARDCA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed